2-(2-bromo-3-fluorophenyl)-1-[4-(ethylamino)oxolan-3-yl]ethanone

C14H17BrFNO2 — CID 116588148

IUPAC2-(2-bromo-3-fluorophenyl)-1-[4-(ethylamino)oxolan-3-yl]ethanone
SMILESCCNC1COCC1C(=O)Cc1cccc(F)c1Br
InChIInChI=1S/C14H17BrFNO2/c1-2-17-12-8-19-7-10(12)13(18)6-9-4-3-5-11(16)14(9)15/h3-5,10,12,17H,2,6-8H2,1H3
InChIKeyNSKUAPWPHNWBQO-UHFFFAOYSA-N
MW330.20 g/mol
LogP2.32
Rot. Bonds5

About 2-(2-bromo-3-fluorophenyl)-1-[4-(ethylamino)oxolan-3-yl]ethanone

2-(2-bromo-3-fluorophenyl)-1-[4-(ethylamino)oxolan-3-yl]ethanone (PubChem CID 116588148) has the molecular formula C14H17BrFNO2 and a molecular weight of 330.20 g/mol. Its IUPAC name is 2-(2-bromo-3-fluorophenyl)-1-[4-(ethylamino)oxolan-3-yl]ethanone.

Molecular Properties

Compound Name2-(2-bromo-3-fluorophenyl)-1-[4-(ethylamino)oxolan-3-yl]ethanone
PubChem CID116588148
Molecular FormulaC14H17BrFNO2
Molecular Weight330.20 g/mol
Exact Mass329.04
IUPAC Name2-(2-bromo-3-fluorophenyl)-1-[4-(ethylamino)oxolan-3-yl]ethanone
SMILESCCNC1COCC1C(=O)Cc1cccc(F)c1Br
InChIInChI=1S/C14H17BrFNO2/c1-2-17-12-8-19-7-10(12)13(18)6-9-4-3-5-11(16)14(9)15/h3-5,10,12,17H,2,6-8H2,1H3
InChIKeyNSKUAPWPHNWBQO-UHFFFAOYSA-N
XLogP2.32
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.20
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,3-difluorophenyl)-1-[4-(methylamino)oxolan-3-yl]ethanone
CID 116561547
2-(2-amino-3-pyridinyl)-1-[4-(ethylamino)oxolan-3-yl]ethanone
CID 116588194
2-(2-chloro-4-fluorophenyl)-1-[4-(ethylamino)oxolan-3-yl]ethanone
CID 116588089
2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-[4-(ethylamino)oxolan-3-yl]ethanone
CID 116588170
N-ethyl-4-(ethylamino)-N-(2-fluorophenyl)oxolane-3-carboxamide
CID 66257551
2-(3-bromo-2,6-difluorophenyl)-1-[4-(propylamino)oxolan-3-yl]ethanone
CID 106272670
2-(3,4-dichlorophenyl)-1-[4-(ethylamino)oxolan-3-yl]ethanone
CID 116587940
2-(3-bromophenyl)-1-[4-(propylamino)oxolan-3-yl]ethanone
CID 116587837
[4-(ethylamino)oxolan-3-yl]-phenylmethanone
CID 116588048
N-(3-bromo-2-methylphenyl)-4-(ethylamino)oxolane-3-carboxamide
CID 107625139
N-(5-bromo-2,4-difluorophenyl)-4-(ethylamino)oxolane-3-carboxamide
CID 102853704
1-[4-(ethylamino)oxolan-3-yl]-2-(1-methylindazol-3-yl)ethanone
CID 116588070

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-3-fluorophenyl)-1-[4-(ethylamino)oxolan-3-yl]ethanone?
The IUPAC name of 2-(2-bromo-3-fluorophenyl)-1-[4-(ethylamino)oxolan-3-yl]ethanone (CID 116588148) is 2-(2-bromo-3-fluorophenyl)-1-[4-(ethylamino)oxolan-3-yl]ethanone.
What is the SMILES notation for 2-(2-bromo-3-fluorophenyl)-1-[4-(ethylamino)oxolan-3-yl]ethanone?
The canonical SMILES for 2-(2-bromo-3-fluorophenyl)-1-[4-(ethylamino)oxolan-3-yl]ethanone is CCNC1COCC1C(=O)Cc1cccc(F)c1Br.
What is the InChIKey of 2-(2-bromo-3-fluorophenyl)-1-[4-(ethylamino)oxolan-3-yl]ethanone?
The InChIKey is NSKUAPWPHNWBQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrFNO2/c1-2-17-12-8-19-7-10(12)13(18)6-9-4-3-5-11(16)14(9)15/h3-5,10,12,17H,2,6-8H2,1H3.
What are the key properties of 2-(2-bromo-3-fluorophenyl)-1-[4-(ethylamino)oxolan-3-yl]ethanone?
2-(2-bromo-3-fluorophenyl)-1-[4-(ethylamino)oxolan-3-yl]ethanone has a molecular weight of 330.20 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-3-fluorophenyl)-1-[4-(ethylamino)oxolan-3-yl]ethanone is sourced from PubChem (CID 116588148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).